(2R)-1-(4-cyano-2,6-difluorophenyl)-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide

C17H15F2N3O2 — CID 99636817

IUPAC(2R)-1-(4-cyano-2,6-difluorophenyl)-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
SMILESN#Cc1cc(F)c(N2CCC[C@@H]2C(=O)NCc2ccco2)c(F)c1
InChIInChI=1S/C17H15F2N3O2/c18-13-7-11(9-20)8-14(19)16(13)22-5-1-4-15(22)17(23)21-10-12-3-2-6-24-12/h2-3,6-8,15H,1,4-5,10H2,(H,21,23)/t15-/m1/s1
InChIKeyXIBNTFLVBFBNFK-OAHLLOKOSA-N
MW331.32 g/mol
LogP2.71
Rot. Bonds4

About (2R)-1-(4-cyano-2,6-difluorophenyl)-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide

(2R)-1-(4-cyano-2,6-difluorophenyl)-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 99636817) has the molecular formula C17H15F2N3O2 and a molecular weight of 331.32 g/mol. Its IUPAC name is (2R)-1-(4-cyano-2,6-difluorophenyl)-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-(4-cyano-2,6-difluorophenyl)-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID99636817
Molecular FormulaC17H15F2N3O2
Molecular Weight331.32 g/mol
Exact Mass331.11
IUPAC Name(2R)-1-(4-cyano-2,6-difluorophenyl)-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
SMILESN#Cc1cc(F)c(N2CCC[C@@H]2C(=O)NCc2ccco2)c(F)c1
InChIInChI=1S/C17H15F2N3O2/c18-13-7-11(9-20)8-14(19)16(13)22-5-1-4-15(22)17(23)21-10-12-3-2-6-24-12/h2-3,6-8,15H,1,4-5,10H2,(H,21,23)/t15-/m1/s1
InChIKeyXIBNTFLVBFBNFK-OAHLLOKOSA-N
XLogP2.71
TPSA69.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.32
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-1-(4-cyano-2,6-difluorophenyl)-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(furan-2-ylmethyl)-1-(2,3,5,6-tetrafluoro-4-pyridinyl)pyrrolidine-2-carboxamide
CID 91644166
1-(3-chloro-4-cyanophenyl)-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 86805093
1-(3-fluoro-2-pyridinyl)-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 86805094
(2S)-1-[(4-cyanophenyl)methyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 38774108
(2S)-1-(2-cyano-4-nitrophenyl)-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 95625602
(2R)-N-(furan-2-ylmethyl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidine-2-carboxamide
CID 125142082
(2R)-N-(furan-2-ylmethyl)-1-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 99636768
(2S)-N-(furan-2-ylmethyl)-1-(4-methylsulfonylphenyl)pyrrolidine-2-carboxamide
CID 99636781
N-(furan-2-ylmethyl)-1-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 86805078
N-(furan-2-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxamide
CID 86930900
(2S)-N-(furan-2-ylmethyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-2-carboxamide
CID 32877863
(2R)-N-(furan-2-ylmethyl)-1-furo[3,2-c]pyridin-4-ylpyrrolidine-2-carboxamide
CID 99636760

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-cyano-2,6-difluorophenyl)-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-(4-cyano-2,6-difluorophenyl)-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide (CID 99636817) is (2R)-1-(4-cyano-2,6-difluorophenyl)-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-(4-cyano-2,6-difluorophenyl)-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-(4-cyano-2,6-difluorophenyl)-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide is N#Cc1cc(F)c(N2CCC[C@@H]2C(=O)NCc2ccco2)c(F)c1.
What is the InChIKey of (2R)-1-(4-cyano-2,6-difluorophenyl)-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is XIBNTFLVBFBNFK-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H15F2N3O2/c18-13-7-11(9-20)8-14(19)16(13)22-5-1-4-15(22)17(23)21-10-12-3-2-6-24-12/h2-3,6-8,15H,1,4-5,10H2,(H,21,23)/t15-/m1/s1.
What are the key properties of (2R)-1-(4-cyano-2,6-difluorophenyl)-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide?
(2R)-1-(4-cyano-2,6-difluorophenyl)-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 331.32 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-cyano-2,6-difluorophenyl)-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 99636817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).